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Mecarbinate

Names

[ CAS No. ]:
15574-49-9

[ Name ]:
Mecarbinate

[Synonym ]:
1,2-Dimethyl-5-hydroxyindole-3-Carboxylate Ethyl
Mecarbine
MFCD00451373
5-Hydroxy-1,2-dimethylindole-3-carboxylic Acid Ethyl Ester
Ethyl 5-Hydroxy-1,2-dimethylindole-3-carboxylate
1,2-Dimethyl-5-hydroxyindole-2-Carboxylate Ethyl
1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester
Ethyl 5-hydroxy-1,2-dimethyl-1H-indole-3-carboxylate
Mecarbinate

Biological Activity

[Description]:

Mecarbinate is an anti-hepatitis C virus (HCV) agent.

[Related Catalog]:

Signaling Pathways >> Anti-infection >> HCV
Research Areas >> Infection
Natural Products >> Phenols

[Target]

HCV


[References]

[1]. Andreev IA, et al. Discovery of the 2-phenyl-4,5,6,7-Tetrahydro-1H-indole as a novel anti-hepatitis C virus targeting scaffold. Eur J Med Chem. 2015;96:250-8.


[Related Small Molecules]

Asunaprevir | Sofosbuvir | Simeprevir | Ledipasvir | paritaprevir | Artemisinin | Elbasvir | NIM811 | MK-5172 | velpatasvir | Ombitasvir | Danoprevir (ITMN-191) | Glecaprevir | Celgosivir (hydrochloride) | Alisporivir

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
399.8±37.0 °C at 760 mmHg

[ Melting Point ]:
208-212ºC

[ Molecular Formula ]:
C13H15NO3

[ Molecular Weight ]:
233.263

[ Flash Point ]:
195.6±26.5 °C

[ Exact Mass ]:
233.105194

[ PSA ]:
51.46000

[ LogP ]:
2.77

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.572

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL6003600
CHEMICAL NAME :
1H-Indole-3-carboxylic acid, 5-hydroxy-1,2-dimethyl-, ethyl ester
CAS REGISTRY NUMBER :
15574-49-9
BEILSTEIN REFERENCE NO. :
0193275
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H15-N-O3
MOLECULAR WEIGHT :
233.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (1),29,1994
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (1),29,1994
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (1),29,1994

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds